Mol:FL6FBBNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.3202 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -5.6680 2.8571
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SBV 2 22 -6.6713 2.3693
S SKP 8
ID FL6FBBNS0001
KNApSAcK_ID C00008756
NAME 7-Hydroxy-5,4'-dimethoxyflavan
CAS_RN 103461-94-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(OC)cc(O)1
M END
